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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006247

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.81
4NL4-AMINOPHENOLA2ORL0.84
4NS4-nitrophenyl sulfateX2ZYU0.82
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.79
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
NIYMETA-NITRO-TYROSINEA2ADP0.75
NIYMETA-NITRO-TYROSINEA3DIV0.75
NIYMETA-NITRO-TYROSINEA2H5U0.75
NIYMETA-NITRO-TYROSINEA1K4Q0.75
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.75
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.75
DNC3,5-DINITROCATECHOLA3BWY0.87
DNC3,5-DINITROCATECHOLA3BWM0.87
DNC3,5-DINITROCATECHOLA1VID0.87
NCR2-NITRO-P-CRESOLA,B1AHV0.83
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.81
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.81
4NP4-NITROPHENYL PHOSPHATEA2I6P0.81
NPOP-NITROPHENOLA,B1Z440.9
NPOP-NITROPHENOLX2ZYW0.9
NPOP-NITROPHENOLH,L1YEK0.9
NPOP-NITROPHENOLA,C,E,G43CA0.9
NPOP-NITROPHENOLA1LS60.9
NPOP-NITROPHENOLX2ZVP0.9
NPOP-NITROPHENOLA,B2I100.9
NPOP-NITROPHENOLA1VAH0.9
NPOP-NITROPHENOLA,B3ETT0.9
NPOP-NITROPHENOLA,B2D200.9
NPOP-NITROPHENOLX2ZYV0.9
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.78
2AF2-AMINOPHENOLA1L4N0.86
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.86
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.74
TNFPICRIC ACIDA1GVS0.93
TNFPICRIC ACIDX1VYP0.93
TNFPICRIC ACIDA1VYR0.93
TNFPICRIC ACIDX1VYS0.93
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.75
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
DNF2,4-DINITROPHENOLA,B2B160.95
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.95
DNF2,4-DINITROPHENOLA1GVO0.95
DNF2,4-DINITROPHENOLA,B2B150.95
DNF2,4-DINITROPHENOLA,B2B140.95
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.79
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.79
4NC4-NITROCATECHOLA1NO30.82
4NC4-NITROCATECHOLB2BUU0.82
4NC4-NITROCATECHOLB2BUZ0.82
4NC4-NITROCATECHOLB1EOC0.82
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.74